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	hartrees
Energy at 0K	-637.095862
Energy at 298.15K
HF Energy	-636.903107
Nuclear repulsion energy	139.831128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3290	3290	8.37
2	A'	3275	3275	5.74
3	A'	1734	1734	23.11
4	A'	1348	1348	0.08
5	A'	1262	1262	4.92
6	A'	1178	1178	159.94
7	A'	892	892	53.88
8	A'	453	453	1.72
9	A'	274	274	6.10
10	A"	942	942	50.33
11	A"	800	800	13.33
12	A"	276	276	1.77

Atom	x (Å)	y (Å)
C1	0.000	0.476
C2	1.026	-0.368
Cl3	-1.637	-0.094
F4	2.288	0.094
H5	0.123	1.548
H6	0.954	-1.446

	C1	C2	Cl3	F4	H5	H6
C1		1.3284	1.7334	2.3200	1.0792	2.1464
C2	1.3284		2.6767	1.3441	2.1179	1.0811
Cl3	1.7334	2.6767		3.9296	2.4076	2.9226
F4	2.3200	1.3441	3.9296		2.6080	2.0376
H5	1.0792	2.1179	2.4076	2.6080		3.1079
H6	2.1464	1.0811	2.9226	2.0376	3.1079

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.471	C1	C2	H6	125.644
C2	C1	Cl3	121.339	C2	C1	H5	122.876
Cl3	C1	H5	115.785	F4	C2	H6	113.885

All results from a given calculation for CHFCHCl ((E)-1-chloro-2-fluoroethene)

using model chemistry: B2PLYP=FULLultrafine/6-31G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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